Description

Octafluorotoluene (CAS No. 434-64-0), also known as perfluorotoluene, is a high-purity fluorinated aromatic compound with the molecular formula C₇F₈. Its IUPAC name, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene, reflects its fully substituted fluorine structure, which imparts exceptional chemical inertness, thermal stability, and hydrophobic properties. This colorless, volatile liquid is widely utilized in advanced research and industrial applications due to its unique physicochemical characteristics, including low surface tension, high density, and excellent compatibility with fluorinated systems. Octafluorotoluene is rigorously tested for purity (typically ≥98% by GC) and is available in sealed, corrosion-resistant packaging to ensure stability and longevity. Ideal for use as a solvent, dielectric fluid, or intermediate in organofluorine synthesis, it is a critical reagent for scientists working in materials science, electronics, and specialty chemistry.

Properties

• CAS Number: 434-64-0
• Complexity: 210
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
• InChI: InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
• InChI Key: USPWUOFNOTUBAD-UHFFFAOYSA-N
• Exact Mass: 235.98722530
• Molecular Formula: C7F8
• Molecular Weight: 236.06
• SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F
• Monoisotopic Mass: 235.98722530
• Physical Description: Colorless liquid;
• Vapor Pressure: 29.0 [mmHg]
• Synonyms: OCTAFLUOROTOLUENE, Perfluorotoluene, 1,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene, Toluene, octafluoro-, Benzene, pentafluoro(trifluoromethyl)-, (Trifluoromethyl)pentafluorobenzene, Pentafluorobenzotrifluoride, EINECS 207-104-7, 4EFB94M9FV, NSC 88302, NSC-88302, DTXSID1059993, Pentafluoro(trifluoro-methyl)benzene, Benzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-, 1-Trifluoromethyl-2,3,4,5,6-pentafluorobenzen, Toluene, octafluoro, DTXCID4040262, Benzene, pentafluoro(trifluoromethyl), Benzene, 1,2,3,4,5pentafluoro6(trifluoromethyl), un1992, uspwuofnotubad-uhfffaoysa-n, 434-64-0, MFCD00000375, Octafluorotoluene, 98%, UNII-4EFB94M9FV, SCHEMBL308464, CHEMBL455799, NSC88302, WLN: FXFFR BF CF DF EF FF, SBB098512, AKOS005258166, PS-10073, DB-051089, NS00043357, P0856, D92029, 1-Trifluoromethyl-2,3,4,5,6-pentafluorobenzene, 2,3,4,5,6-pentafluoro-1-(trifluoromethyl)benzene, 1,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene #, Q21099639

Application

Octafluorotoluene is employed as a non-polar solvent in fluorination reactions and as a dielectric medium in high-voltage applications due to its exceptional electrical insulation properties. Its thermal stability makes it suitable for heat-transfer fluids in demanding industrial processes. Researchers also use it as a precursor for synthesizing fluorinated polymers and as a tracer fluid in environmental and analytical chemistry.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (90.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (82.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (13.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Acute Tox. 4 (90.4%)
• Skin Irrit. 2 (90.4%)
• Eye Irrit. 2 (90.4%)
• Acute Tox. 3 (82.7%)
• STOT SE 3 (13.5%)

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